The method of pseudopotentials is re-esamined using the brn and McWeeny formulation, and used in valenceelectron-only (VEO) alculationt on the molecules formaldehyde and sodium chloride. The valence electron distribution snd energy levels ~2 in good apccment with those obtained from more complete ca
โฆ LIBER โฆ
Treatment of electron-electron correlations in electronic structure calculations
โ Scribed by Gonis, A.; Schulthess, T.; Turchi, P.; van Ek, J.
- Book ID
- 111876326
- Publisher
- The American Physical Society
- Year
- 1997
- Tongue
- English
- Weight
- 319 KB
- Volume
- 56
- Category
- Article
- ISSN
- 1098-0121
No coin nor oath required. For personal study only.
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